[(2R,3R,4R,5R,6S)-6-(6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl)oxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 01e4b85c-855d-4fe4-80bb-0660395a2c99 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | [(2R,3R,4R,5R,6S)-6-(6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl)oxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H46O14/c1-6-31(5,14-13-20(34)30(3,4)40)45-29-25(39)27(44-28-24(38)23(37)22(36)16(2)41-28)26(19(15-32)42-29)43-21(35)12-9-17-7-10-18(33)11-8-17/h6-12,16,19-20,22-29,32-34,36-40H,1,13-15H2,2-5H3/b12-9-/t16-,19+,20?,22-,23+,24+,25+,26+,27+,28-,29-,31?/m0/s1 |
| InChI Key | HYDKODFNESPSKT-CAMRKLNPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H46O14 |
| Molecular Weight | 642.70 g/mol |
| Exact Mass | 642.28875614 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4R,5R,6S)-6-(6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl)oxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/dc4b6080-86db-11ee-b777-51294c99fca9.jpg "2D Structure of [(2R,3R,4R,5R,6S)-6-(6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl)oxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.07% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.33% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.28% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.84% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.66% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.65% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.31% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.84% | 95.89% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.13% | 97.36% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.99% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.51% | 89.67% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.29% | 90.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.94% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.79% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.68% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Ligustrum pricei |
| PubChem | 21630864 |
| LOTUS | LTS0081046 |
| wikiData | Q105035257 |